SCHEMBL18213635

SCHEMBL18213635

CCCN(CCC)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
DRD3 P35462 4/20 0.40
DRD2 P14416 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
EBP Q15125 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5039661 1.00 HTR1A (0.42) HTR1ADRD3DRD2OPRM1OPRD1
SCHEMBL1068540 0.89 CYP3A4 (0.39) HTR1ADRD3OPRM1OPRK1DRD1
SCHEMBL5033519 0.89 MEN1 (0.45) HTR1ADRD3DRD2OPRM1OPRD1
SCHEMBL8723759 0.86 SIGMAR1 (0.42) HTR1ADRD3DRD2OPRM1OPRK1
SCHEMBL2879292 0.86 KCNH2 (0.47) HTR1ADRD3OPRM1SIGMAR1DRD1
SCHEMBL9619532 0.86 SIGMAR1 (0.44) HTR1ADRD3DRD2OPRM1OPRK1
SCHEMBL10733880 0.84 SIGMAR1 (0.43) HTR1ADRD3DRD2OPRM1OPRK1
SCHEMBL5000276 0.82 HTR1A (0.39) HTR1ADRD3DRD2OPRM1OPRD1
SCHEMBL16935352 0.80 TDP1 (0.37) HTR1ADRD3DRD2OPRM1OPRD1
SCHEMBL23637367 0.80 CARM1 (0.37)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326199-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-11-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160326199-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS PSPH, AS3MT, TST HTR1A 3926/4885DRD3 2429/4885DRD2 2904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.